SCHEMBL7018668

SCHEMBL7018668

COc1cc(C(=O)N2CCCCc3c2sc(C)c3C)ccc1C(=O)Nc1cccc2c1nc(C)n2C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 2/20 0.38
AVPR1B P47901 2/20 0.38
BRD4 O60885 1/20 0.34
BRD1 O95696 1/20 0.34
BRPF1 P55201 1/20 0.34
BRD9 Q9H8M2 1/20 0.34
BRPF3 Q9ULD4 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
DHODH Q02127 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
AVPR2 P30518 2/20 0.33
NR1H2 P55055 1/20 0.33
MAPT P10636 2/20 0.33
PDE1B Q01064 1/20 0.33
THRB P10828 1/20 0.33
CNR2 P34972 1/20 0.32
MAP3K5 Q99683 1/20 0.32
ROCK2 O75116 1/20 0.32
SAE1 Q9UBE0 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7019411 0.85 AVPR1A (0.55) AVPR1AAVPR1BAVPR2MAPT
SCHEMBL7014299 0.85 PDE4A (0.48) AVPR1AAVPR1BSMN1; SMN2AVPR2LMNA
SCHEMBL7020124 0.84 AVPR1A (0.40) AVPR1AAVPR1BBRD4BRD1BRPF1
SCHEMBL7014179 0.83 AVPR1A (0.39) AVPR1AAVPR1BAVPR2LMNA
SCHEMBL7019710 0.83 AVPR1A (0.41) AVPR1AAVPR1BAVPR2MAPTTHRB
SCHEMBL7019296 0.83 AVPR1A (0.41) AVPR1AAVPR1BBRD4BRD9SMN1; SMN2
SCHEMBL7021889 0.81 AVPR1A (0.46) AVPR1AAVPR1BBRD4BRD1BRPF1
SCHEMBL7019122 0.80 MAPT (0.39) AVPR1AAVPR1BSMN1; SMN2MEN1KMT2A
SCHEMBL7019750 0.79 MAPT (0.38) AVPR1AAVPR1BBRD4BRD1BRPF1
SCHEMBL7023856 0.78 AVPR1A (0.38) AVPR1AAVPR1BSMN1; SMN2AVPR2NR1H2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1051415-B1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2003-09-24 EP disclosed
US-6495542-B1 SUCH AS 2-METHOXY-N-(2-METHYL-1H-BENZIMIDAZOL-4-YL)-4-(2,3,4,5-TETRAHYDRO-5-OXO-1H-1-BENZAZEPIN-1-YL)CARBONYL-BENZAM IDE; HYPERTENSION, HEART FAILURE, RENAL INSUFFICIENCY, EDEMA, ASCITES, VASOPRESSIN PARASECRETION SYNDROME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-17 US disclosed
EP-1051415-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-15 EP disclosed
WO-1999037637-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-07-29 WO disclosed